%0 Journal Article
%T Codoping of Potassium and Bromine in Carbon Nanotubes: A Density Functional Theory Study<br>Codoping of Potassium and Bromine in Carbon Nanotubes： A Density Functional Theory Study
%A XIAO Yang
%A YAN Xiao-Hong
%A DING Jian-Wen
%A <br>肖杨
%A 颜晓红
%A 丁建文
%J 中国物理快报
%D 2007
%I 
%X We investigate the co-doping of potassium and bromine in single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) based on density functional theory. In the co-doped (6,0) SWCNTs, the4s electron of potassium is transferred to nanotube and Br, leading to the n-type feature of SWCNTs. When potassium is intercalated into inner tube and bromine is put on outer tube, the positive and negative charges reside on the outer and inner tubes of the (7,0)@(16,0) DWCNT, respectively. It is expected that DWCNTs would be an ideal candidate for p--n junction and diode applications.
%K 73
%K 22
%K -f
%K 71
%K 20
%K Tx<br>钾
%K 溴
%K 共掺
%K 碳纳米管
%K 密度函数
%U http://www.alljournals.cn/get_abstract_url.aspx?pcid=6E709DC38FA1D09A4B578DD0906875B5B44D4D294832BB8E&cid=47EA7CFDDEBB28E0&jid=E27DA92E19FE279A273627875A70D74D&aid=2EAD1470ADDF8717E3E4BBE574AC36FF&yid=A732AF04DDA03BB3&vid=B91E8C6D6FE990DB&iid=59906B3B2830C2C5&sid=6F1FC85013EC603C&eid=E0322A8ACAE9818B&journal_id=0256-307X&journal_name=中国物理快报&referenced_num=0&reference_num=25